Giant magnetic anisotropy of Pb atoms in 3 d -based magnets

Xia, Weiyi; Wang, Cai-Zhuang; Antropov, Vladimir

doi:10.1103/physrevb.110.184415

Title: Giant magnetic anisotropy of Pb atoms in 3 d -based magnets

Journal Article · 18 November 2024 · Physical Review. B

DOI: https://doi.org/10.1103/physrevb.110.184415 · OSTI ID:2477805

^[1];

^[1]

Ames Lab., and Iowa State Univ., Ames, IA (United States)

Electronic structure analysis is performed to study the properties of several Pb-containing 3⁢d intermetallics. Our study reveals that binary metastable C⁢o₃⁢Pb and F⁡e₃⁢Pb intermetallic compounds exhibit very attractive intrinsic magnetic properties. We primarily focus on the magnetic anisotropic properties arising from the high spin-orbit coupling of the Pb atom. Decomposing the total anisotropy into intra- and interatomic contributions reveals a significant deviation from single-ion anisotropy model with strong symmetric anisotropic pair interactions present. Furthermore, we consider magnetic properties of ternary Pb-based 3⁢⁢d intermetallics, which recently have been reported as stable or metastable. Giant magnetic anisotropy is found on Pb atoms in these systems. The origin of such strong anisotropy in L⁢a_18⁢C⁢o₂₈⁢P⁢b₃ appears from two sources: spin-orbit and interelectronic Breit couplings. Additionally, the significance of Breit interaction for magnetic anisotropy in bulk systems is reported. It is expected that Breit coupling-induced anisotropy is dominating in magnetic Pb-based magnets with lower dimensionality including thin films.

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Research Organization:: Ames Laboratory (AMES), Ames, IA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 2477805

Report Number(s):: AL-J--661

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 18 Vol. 110; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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